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(1R,2R,4R,5S,8S,9R)-8-Benzyl-9-benzyloxymethyl-2-methoxymethoxy-4,5-dimethylbicyclo[3.3.1]nonane
SpectraBase Compound ID 55mckX4A0kd
InChI InChI=1S/C28H38O4/c1-21-16-26(32-20-29-3)27-24(19-30-17-22-10-6-4-7-11-22)28(21,2)15-14-25(27)31-18-23-12-8-5-9-13-23/h4-13,21,24-27H,14-20H2,1-3H3/t21-,24?,25+,26?,27?,28?/m1/s1
InChIKey QHMOEYXMTJPGHY-SNBRPINGSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3BAPg9r0ix
Name (1R,2R,4R,5S,8S,9R)-8-Benzyl-9-benzyloxymethyl-2-methoxymethoxy-4,5-dimethylbicyclo[3.3.1]nonane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-21-16-26(32-20-29-3)27-24(19-30-17-22-10-6-4-7-11-22)28(21,2)15-14-25(27)31-18-23-12-8-5-9-13-23/h4-13,21,24-27H,14-20H2,1-3H3/t21-,24?,25+,26?,27?,28?/m1/s1
InChIKey QHMOEYXMTJPGHY-SNBRPINGSA-N
Molecular Weight 438.608 g/mol
SMILES C12(C(C([C@](CC2)(OCc2ccccc2)[H])C(C[C@]1(C)[H])OCOC)COCc1ccccc1)C
SPLASH splash10-00kg-9045000000-5c5c3a5419bcd18375a2
Source of Spectrum F-50-681-32
Synonyms (2R,6S)-6-Benzyloxy-9-benzyloxymethyl-4-methoxymethoxy-1,2-dimethyl-bicyclo[3.3.1]nonane
Wiley ID 1384283